3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C19H16N4S MolecularWeight: 332.42214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H16N4S/c20-12-14-5-4-6-15(11-14)13-24-19-21-18(16-9-10-16)23(22-19)17-7-2-1-3-8-17/h1-8,11,16H,9-10,13H2